2,3-difluoro-1-[(Z)-3-fluoro-2-methylprop-2-enyl]-4-methoxybenzene

C11H11F3O — CID 69133272

IUPAC2,3-difluoro-1-[(Z)-3-fluoro-2-methylprop-2-enyl]-4-methoxybenzene
SMILESCOc1ccc(C/C(C)=C\F)c(F)c1F
InChIInChI=1S/C11H11F3O/c1-7(6-12)5-8-3-4-9(15-2)11(14)10(8)13/h3-4,6H,5H2,1-2H3/b7-6-
InChIKeyBGBREDPFRKSDHA-SREVYHEPSA-N
MW216.20 g/mol
LogP3.39
Rot. Bonds3

About 2,3-difluoro-1-[(Z)-3-fluoro-2-methylprop-2-enyl]-4-methoxybenzene

2,3-difluoro-1-[(Z)-3-fluoro-2-methylprop-2-enyl]-4-methoxybenzene (PubChem CID 69133272) has the molecular formula C11H11F3O and a molecular weight of 216.20 g/mol. Its IUPAC name is 2,3-difluoro-1-[(Z)-3-fluoro-2-methylprop-2-enyl]-4-methoxybenzene.

Molecular Properties

Compound Name2,3-difluoro-1-[(Z)-3-fluoro-2-methylprop-2-enyl]-4-methoxybenzene
PubChem CID69133272
Molecular FormulaC11H11F3O
Molecular Weight216.20 g/mol
Exact Mass216.08
IUPAC Name2,3-difluoro-1-[(Z)-3-fluoro-2-methylprop-2-enyl]-4-methoxybenzene
SMILESCOc1ccc(C/C(C)=C\F)c(F)c1F
InChIInChI=1S/C11H11F3O/c1-7(6-12)5-8-3-4-9(15-2)11(14)10(8)13/h3-4,6H,5H2,1-2H3/b7-6-
InChIKeyBGBREDPFRKSDHA-SREVYHEPSA-N
XLogP3.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-difluoro-4-methoxyphenyl)-N-methoxymethanamine
CID 117291369
methyl (2S)-2-amino-3-(2,3-difluoro-4-methoxyphenyl)propanoate
CID 171238466
2-amino-3-(2,3-difluoro-4-methoxyphenyl)propan-1-ol
CID 170893663
N-[(3-fluoro-2,4-dimethoxyphenyl)methyl]hydroxylamine
CID 84776126
3-(2,3-difluoro-4-methoxyphenyl)-2,2-dimethylpropanoic acid
CID 117362174
3-(3-fluoro-2-hydroxy-4-methoxyphenyl)propanal
CID 117287722
2,3-difluoro-1-methoxy-4-[(4-methylcyclohexyl)methyl]benzene
CID 20742506
6-(2-aminoethyl)-2-fluoro-3-methoxyphenol
CID 84769662
2,3-difluoro-4-methoxy-N-propan-2-ylaniline
CID 118342449
dimethyl (E)-2-[(2-fluoro-3-methoxyphenyl)methyl]but-2-enedioate
CID 58078424
2-fluoro-6-(hydroxymethyl)-3-methoxybenzonitrile
CID 131297253
N-ethyl-2,3-difluoro-4-methoxyaniline;hydrochloride
CID 174514684

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-[(Z)-3-fluoro-2-methylprop-2-enyl]-4-methoxybenzene?
The IUPAC name of 2,3-difluoro-1-[(Z)-3-fluoro-2-methylprop-2-enyl]-4-methoxybenzene (CID 69133272) is 2,3-difluoro-1-[(Z)-3-fluoro-2-methylprop-2-enyl]-4-methoxybenzene.
What is the SMILES notation for 2,3-difluoro-1-[(Z)-3-fluoro-2-methylprop-2-enyl]-4-methoxybenzene?
The canonical SMILES for 2,3-difluoro-1-[(Z)-3-fluoro-2-methylprop-2-enyl]-4-methoxybenzene is COc1ccc(C/C(C)=C\F)c(F)c1F.
What is the InChIKey of 2,3-difluoro-1-[(Z)-3-fluoro-2-methylprop-2-enyl]-4-methoxybenzene?
The InChIKey is BGBREDPFRKSDHA-SREVYHEPSA-N. The full InChI is InChI=1S/C11H11F3O/c1-7(6-12)5-8-3-4-9(15-2)11(14)10(8)13/h3-4,6H,5H2,1-2H3/b7-6-.
What are the key properties of 2,3-difluoro-1-[(Z)-3-fluoro-2-methylprop-2-enyl]-4-methoxybenzene?
2,3-difluoro-1-[(Z)-3-fluoro-2-methylprop-2-enyl]-4-methoxybenzene has a molecular weight of 216.20 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-[(Z)-3-fluoro-2-methylprop-2-enyl]-4-methoxybenzene is sourced from PubChem (CID 69133272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).